Geometry & MOs

Info

ID:	349207
PubChem CID:	127274933
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	4.79
IP(EA), eV:	-9.08(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-2-pyridin-3-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=NNC3=C2CCC3

DOS

IR

Vibrations